CID 169546216

Tert-butyl n-(5-amino-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(COC2)N
InChI
InChI=1S/C11H20N2O3/c1-9(2,3)16-8(14)13-11-4-10(12,5-11)6-15-7-11/h4-7,12H2,1-3H3,(H,13,14)
InChIKey
BCTRASQUJULAOY-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-amino-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1474 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.15468 166.4
[M+Na]+ 251.13662 169.2
[M-H]- 227.14012 165.1
[M+NH4]+ 246.18122 183.6
[M+K]+ 267.11056 173.1
[M+H-H2O]+ 211.14466 158.0
[M+HCOO]- 273.14560 177.4
[M+CH3COO]- 287.16125 198.5
[M+Na-2H]- 249.12207 177.6
[M]+ 228.14685 177.4
[M]- 228.14795 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.